Basic information
- CAS
103646-11-3- Standard SMILES
COC(=O)c1cc(Cl)nc2ccc([N+](=O)[O-])cc12- InChIKey
DNEYGZCKYOTCLI-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O4
- Average molar mass
- 266.64 g/mol
- Monoisotopic mass
- 266.0094344
Names & identifiers
- Preferred name
- Methyl 2-chloro-6-nitroquinoline-4-carboxylate
- IUPAC
- methyl 2-chloro-6-nitroquinoline-4-carboxylate
Names & synonyms
103646-11-3methyl 2-chloro-6-nitroquinoline-4-carboxylateDTXSID30621580RefChem:354203DTXCID60572334966-546-54-Quinolinecarboxylic acid, 2-chloro-6-nitro-, methyl esterSCHEMBL58736162-chloro-6-nitroquinoline-4-carboxylic acid methyl esterDNEYGZCKYOTCLI-UHFFFAOYSA-N
Database identifiers
- CAS
103646-11-3- PubChem CID
- 22018952
- DTXSID
DTXSID30621580- EC Number
- 966-546-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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